5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C20H18N4O2 — CID 3236811

IUPAC5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1
InChIInChI=1S/C20H18N4O2/c1-13-7-9-15(10-8-13)24-19-18(12-21-24)20(25)23(14(2)22-19)16-5-4-6-17(11-16)26-3/h4-12H,1-3H3
InChIKeyKVKNMCCLIDGLSV-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.20
Rot. Bonds3

About 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3236811) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3236811
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1
InChIInChI=1S/C20H18N4O2/c1-13-7-9-15(10-8-13)24-19-18(12-21-24)20(25)23(14(2)22-19)16-5-4-6-17(11-16)26-3/h4-12H,1-3H3
InChIKeyKVKNMCCLIDGLSV-UHFFFAOYSA-N
XLogP3.20
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 3236811) is 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is COc1cccc(-n2c(C)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KVKNMCCLIDGLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-7-9-15(10-8-13)24-19-18(12-21-24)20(25)23(14(2)22-19)16-5-4-6-17(11-16)26-3/h4-12H,1-3H3.
What are the key properties of 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 346.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3236811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).